deuterium monohydride;5-ethyl-2-[2-[(2R,3R)-3-methylpiperidin-2-yl]ethyl]pyrimidine;[(2S,3R)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid;hydroiodide

C55H66IN11O3 — CID 167537827

IUPACdeuterium monohydride;5-ethyl-2-[2-[(2R,3R)-3-methylpiperidin-2-yl]ethyl]pyrimidine;[(2S,3R)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid;hydroiodide
SMILESCCc1cnc(CC[C@H]2NCCC[C@H]2C)nc1.CCc1cnc(NC[C@@H]2[C@H](C)CCCN2C(=O)c2c(-c3ccccc3)nc3ccccn23)nc1.I.O=C(O)c1c(-c2ccccc2)nc2ccccn12.[H][2H]
InChIInChI=1S/C27H30N6O.C14H23N3.C14H10N2O2.HI.H2/c1-3-20-16-28-27(29-17-20)30-18-22-19(2)10-9-15-32(22)26(34)25-24(21-11-5-4-6-12-21)31-23-13-7-8-14-33(23)25;1-3-12-9-16-14(17-10-12)7-6-13-11(2)5-4-8-15-13;17-14(18)13-12(10-6-2-1-3-7-10)15-11-8-4-5-9-16(11)13;;/h4-8,11-14,16-17,19,22H,3,9-10,15,18H2,1-2H3,(H,28,29,30);9-11,13,15H,3-8H2,1-2H3;1-9H,(H,17,18);2*1H/t19-,22-;11-,13-;;;/m11.../s1/i;;;;1+1
InChIKeyDHVSRIVTAIKRRF-NFQUOIRJSA-N
MW1057.12 g/mol
LogP10.63
Rot. Bonds12

About deuterium monohydride;5-ethyl-2-[2-[(2R,3R)-3-methylpiperidin-2-yl]ethyl]pyrimidine;[(2S,3R)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid;hydroiodide

deuterium monohydride;5-ethyl-2-[2-[(2R,3R)-3-methylpiperidin-2-yl]ethyl]pyrimidine;[(2S,3R)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid;hydroiodide (PubChem CID 167537827) has the molecular formula C55H66IN11O3 and a molecular weight of 1057.12 g/mol. Its IUPAC name is deuterium monohydride;5-ethyl-2-[2-[(2R,3R)-3-methylpiperidin-2-yl]ethyl]pyrimidine;[(2S,3R)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid;hydroiodide.

Molecular Properties

Compound Namedeuterium monohydride;5-ethyl-2-[2-[(2R,3R)-3-methylpiperidin-2-yl]ethyl]pyrimidine;[(2S,3R)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid;hydroiodide
PubChem CID167537827
Molecular FormulaC55H66IN11O3
Molecular Weight1057.12 g/mol
Exact Mass1056.45
IUPAC Namedeuterium monohydride;5-ethyl-2-[2-[(2R,3R)-3-methylpiperidin-2-yl]ethyl]pyrimidine;[(2S,3R)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid;hydroiodide
SMILESCCc1cnc(CC[C@H]2NCCC[C@H]2C)nc1.CCc1cnc(NC[C@@H]2[C@H](C)CCCN2C(=O)c2c(-c3ccccc3)nc3ccccn23)nc1.I.O=C(O)c1c(-c2ccccc2)nc2ccccn12.[H][2H]
InChIInChI=1S/C27H30N6O.C14H23N3.C14H10N2O2.HI.H2/c1-3-20-16-28-27(29-17-20)30-18-22-19(2)10-9-15-32(22)26(34)25-24(21-11-5-4-6-12-21)31-23-13-7-8-14-33(23)25;1-3-12-9-16-14(17-10-12)7-6-13-11(2)5-4-8-15-13;17-14(18)13-12(10-6-2-1-3-7-10)15-11-8-4-5-9-16(11)13;;/h4-8,11-14,16-17,19,22H,3,9-10,15,18H2,1-2H3,(H,28,29,30);9-11,13,15H,3-8H2,1-2H3;1-9H,(H,17,18);2*1H/t19-,22-;11-,13-;;;/m11.../s1/i;;;;1+1
InChIKeyDHVSRIVTAIKRRF-NFQUOIRJSA-N
XLogP10.63
TPSA167.83 Ų
H-Bond Donors3
H-Bond Acceptors12
Rotatable Bonds12
Heavy Atoms70
Complexity—

Lipinski Rule of Five

3 violations

RuleValue
MW ≤ 5001057.12
LogP ≤ 510.63
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 1012

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'iodine', 'substructure': 'N/A'}

Analyze deuterium monohydride;5-ethyl-2-[2-[(2R,3R)-3-methylpiperidin-2-yl]ethyl]pyrimidine;[(2S,3R)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid;hydroiodide with MolForge

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Related Compounds

[(2S,3R)-2-[[(5-fluoropyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-(2-phenylpyrazolo[1,5-a]pyridin-3-yl)methanone
CID 170977484
[(3R)-2-[[(5-chloropyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-isoquinolin-1-ylmethanone
CID 129026055
(2-phenylimidazo[1,2-a]pyridin-3-yl)-[(2S)-2-[(4-phenylimidazol-1-yl)methyl]pyrrolidin-1-yl]methanone
CID 170977783
ethane;[(2S)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]pyrrolidin-1-yl]-[6-(2-fluorophenyl)imidazo[2,1-b][1,3]thiazol-5-yl]methanone;molecular hydrogen
CID 155735370
(2-phenylimidazo[1,2-a]pyridin-3-yl)-pyrrolidin-1-ylmethanone
CID 155383445
[(2S,3R)-3-ethyl-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]piperidin-1-yl]-[4-(4-fluorophenyl)-2-methyl-1,3-thiazol-5-yl]methanone
CID 71715614
[(3R)-3-methyl-2-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]-(2-pyrimidin-2-ylphenyl)methanone
CID 129025601
[2-[[(5-fluoropyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-(5-methyl-2-pyrazol-1-ylphenyl)methanone
CID 123566182
2-[(2-methylcyclopentyl)amino]imidazo[1,2-a]pyridine-3-carboxylic acid
CID 63279752
5-ethyl-N-[[(2S,3R)-1-[(4-methoxyphenyl)methyl]-3-methylpiperidin-2-yl]methyl]pyrimidin-2-amine
CID 155378317
(3-methyl-2-pyrimidin-2-ylphenyl)-[(3R)-3-methyl-2-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]methanone
CID 129025980
(3-fluoro-2-pyrimidin-2-ylphenyl)-[3-methyl-2-[[[5-(trifluoromethyl)pyrimidin-2-yl]amino]methyl]piperidin-1-yl]methanone
CID 123703167

Frequently Asked Questions

What is the IUPAC name of deuterium monohydride;5-ethyl-2-[2-[(2R,3R)-3-methylpiperidin-2-yl]ethyl]pyrimidine;[(2S,3R)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid;hydroiodide?
The IUPAC name of deuterium monohydride;5-ethyl-2-[2-[(2R,3R)-3-methylpiperidin-2-yl]ethyl]pyrimidine;[(2S,3R)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid;hydroiodide (CID 167537827) is deuterium monohydride;5-ethyl-2-[2-[(2R,3R)-3-methylpiperidin-2-yl]ethyl]pyrimidine;[(2S,3R)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid;hydroiodide.
What is the SMILES notation for deuterium monohydride;5-ethyl-2-[2-[(2R,3R)-3-methylpiperidin-2-yl]ethyl]pyrimidine;[(2S,3R)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid;hydroiodide?
The canonical SMILES for deuterium monohydride;5-ethyl-2-[2-[(2R,3R)-3-methylpiperidin-2-yl]ethyl]pyrimidine;[(2S,3R)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid;hydroiodide is CCc1cnc(CC[C@H]2NCCC[C@H]2C)nc1.CCc1cnc(NC[C@@H]2[C@H](C)CCCN2C(=O)c2c(-c3ccccc3)nc3ccccn23)nc1.I.O=C(O)c1c(-c2ccccc2)nc2ccccn12.[H][2H].
What is the InChIKey of deuterium monohydride;5-ethyl-2-[2-[(2R,3R)-3-methylpiperidin-2-yl]ethyl]pyrimidine;[(2S,3R)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid;hydroiodide?
The InChIKey is DHVSRIVTAIKRRF-NFQUOIRJSA-N. The full InChI is InChI=1S/C27H30N6O.C14H23N3.C14H10N2O2.HI.H2/c1-3-20-16-28-27(29-17-20)30-18-22-19(2)10-9-15-32(22)26(34)25-24(21-11-5-4-6-12-21)31-23-13-7-8-14-33(23)25;1-3-12-9-16-14(17-10-12)7-6-13-11(2)5-4-8-15-13;17-14(18)13-12(10-6-2-1-3-7-10)15-11-8-4-5-9-16(11)13;;/h4-8,11-14,16-17,19,22H,3,9-10,15,18H2,1-2H3,(H,28,29,30);9-11,13,15H,3-8H2,1-2H3;1-9H,(H,17,18);2*1H/t19-,22-;11-,13-;;;/m11.../s1/i;;;;1+1.
What are the key properties of deuterium monohydride;5-ethyl-2-[2-[(2R,3R)-3-methylpiperidin-2-yl]ethyl]pyrimidine;[(2S,3R)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid;hydroiodide?
deuterium monohydride;5-ethyl-2-[2-[(2R,3R)-3-methylpiperidin-2-yl]ethyl]pyrimidine;[(2S,3R)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid;hydroiodide has a molecular weight of 1057.12 g/mol, XLogP of 10.63, 12 rotatable bonds, 3 hydrogen bond donors, and 12 hydrogen bond acceptors.
Where does this data come from?
All data for deuterium monohydride;5-ethyl-2-[2-[(2R,3R)-3-methylpiperidin-2-yl]ethyl]pyrimidine;[(2S,3R)-2-[[(5-ethylpyrimidin-2-yl)amino]methyl]-3-methylpiperidin-1-yl]-(2-phenylimidazo[1,2-a]pyridin-3-yl)methanone;2-phenylimidazo[1,2-a]pyridine-3-carboxylic acid;hydroiodide is sourced from PubChem (CID 167537827), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).